magnesium;2-amino-5-phenyl-1,3-oxazol-4-one;dihydroxide

C9H10MgN2O4 — CID 6101617

IUPACmagnesium;2-amino-5-phenyl-1,3-oxazol-4-one;dihydroxide
SMILESNC1=NC(=O)C(c2ccccc2)O1.[Mg+2].[OH-].[OH-]
InChIInChI=1S/C9H8N2O2.Mg.2H2O/c10-9-11-8(12)7(13-9)6-4-2-1-3-5-6;;;/h1-5,7H,(H2,10,11,12);;2*1H2/q;+2;;/p-2
InChIKeyJOPOQPCBCUIPFX-UHFFFAOYSA-L
MW234.49 g/mol
LogP-0.14
Rot. Bonds1

About magnesium;2-amino-5-phenyl-1,3-oxazol-4-one;dihydroxide

magnesium;2-amino-5-phenyl-1,3-oxazol-4-one;dihydroxide (PubChem CID 6101617) has the molecular formula C9H10MgN2O4 and a molecular weight of 234.49 g/mol. Its IUPAC name is magnesium;2-amino-5-phenyl-1,3-oxazol-4-one;dihydroxide.

Molecular Properties

Compound Namemagnesium;2-amino-5-phenyl-1,3-oxazol-4-one;dihydroxide
PubChem CID6101617
Molecular FormulaC9H10MgN2O4
Molecular Weight234.49 g/mol
Exact Mass234.05
IUPAC Namemagnesium;2-amino-5-phenyl-1,3-oxazol-4-one;dihydroxide
SMILESNC1=NC(=O)C(c2ccccc2)O1.[Mg+2].[OH-].[OH-]
InChIInChI=1S/C9H8N2O2.Mg.2H2O/c10-9-11-8(12)7(13-9)6-4-2-1-3-5-6;;;/h1-5,7H,(H2,10,11,12);;2*1H2/q;+2;;/p-2
InChIKeyJOPOQPCBCUIPFX-UHFFFAOYSA-L
XLogP-0.14
TPSA124.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.49
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of magnesium;2-amino-5-phenyl-1,3-oxazol-4-one;dihydroxide?
The IUPAC name of magnesium;2-amino-5-phenyl-1,3-oxazol-4-one;dihydroxide (CID 6101617) is magnesium;2-amino-5-phenyl-1,3-oxazol-4-one;dihydroxide.
What is the SMILES notation for magnesium;2-amino-5-phenyl-1,3-oxazol-4-one;dihydroxide?
The canonical SMILES for magnesium;2-amino-5-phenyl-1,3-oxazol-4-one;dihydroxide is NC1=NC(=O)C(c2ccccc2)O1.[Mg+2].[OH-].[OH-].
What is the InChIKey of magnesium;2-amino-5-phenyl-1,3-oxazol-4-one;dihydroxide?
The InChIKey is JOPOQPCBCUIPFX-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H8N2O2.Mg.2H2O/c10-9-11-8(12)7(13-9)6-4-2-1-3-5-6;;;/h1-5,7H,(H2,10,11,12);;2*1H2/q;+2;;/p-2.
What are the key properties of magnesium;2-amino-5-phenyl-1,3-oxazol-4-one;dihydroxide?
magnesium;2-amino-5-phenyl-1,3-oxazol-4-one;dihydroxide has a molecular weight of 234.49 g/mol, XLogP of -0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-amino-5-phenyl-1,3-oxazol-4-one;dihydroxide is sourced from PubChem (CID 6101617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).